化学标识

Ticagrelor Impurity 67

未列出 · C15H23N5O5S

01化学标识

Lazychem ID	LC-34217
CAS RN	未列出
PubChem CID	141457179
Molecular formula	C15H23N5O5S
Molecular weight	385.4 g/mol
IUPAC name	(1S,2S,3S,5R)-3-(2-hydroxyethoxy)-5-(7-methoxy-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl)cyclopentane-1,2-diol
InChIKey	ZOZYQXXKHVHPGF-LLHIFLOGSA-N

02结构与立体化学

Two-dimensional chemical structure of Ticagrelor Impurity 67 — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aromatic atoms, includes aliphatic carbon, has 4 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	4
Ring count	3
Secondary amines	0
Tertiary amines	0

SMILES	CCCSC1=NC2=C(C(=N1)OC)N=NN2[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO
InChI	未列出

03Stereochemistry

The published structure contains 4 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres4Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 16Before symmetry reduction

Published same-connectivity configurations

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.